5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione

C17H16N2O3 — CID 132821169

IUPAC5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione
SMILESCOc1cccc2c1c(=O)n(-c1ccccc1C)c(=O)n2C
InChIInChI=1S/C17H16N2O3/c1-11-7-4-5-8-12(11)19-16(20)15-13(18(2)17(19)21)9-6-10-14(15)22-3/h4-10H,1-3H3
InChIKeyGITLIFWLDIVANY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.01
Rot. Bonds2

About 5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione

5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione (PubChem CID 132821169) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione
PubChem CID132821169
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione
SMILESCOc1cccc2c1c(=O)n(-c1ccccc1C)c(=O)n2C
InChIInChI=1S/C17H16N2O3/c1-11-7-4-5-8-12(11)19-16(20)15-13(18(2)17(19)21)9-6-10-14(15)22-3/h4-10H,1-3H3
InChIKeyGITLIFWLDIVANY-UHFFFAOYSA-N
XLogP2.01
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262276
8-methoxy-3-(2-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261966
3-(azepan-3-yl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262138
1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione
CID 132821171
5-methoxy-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 87203020
4-methoxy-1,2,3-trimethylcyclohepta[c]pyrrol-8-one
CID 804120
3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one
CID 86043980
8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one
CID 123206639
5-methoxy-2,9-dimethylcarbazole
CID 86239473
1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one
CID 102207415
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
CID 115036593

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione?
The IUPAC name of 5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione (CID 132821169) is 5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione.
What is the SMILES notation for 5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione?
The canonical SMILES for 5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione is COc1cccc2c1c(=O)n(-c1ccccc1C)c(=O)n2C.
What is the InChIKey of 5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione?
The InChIKey is GITLIFWLDIVANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-7-4-5-8-12(11)19-16(20)15-13(18(2)17(19)21)9-6-10-14(15)22-3/h4-10H,1-3H3.
What are the key properties of 5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione?
5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione is sourced from PubChem (CID 132821169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).